CID 509919

Schembl7479556

Structural Information

Molecular Formula
C18H19N5O3S2
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCCC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C18H19N5O3S2/c1-12-2-6-14(7-3-12)16(24)21-18-23-22-17(27-18)20-11-10-13-4-8-15(9-5-13)28(19,25)26/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,25,26)(H,21,23,24)
InChIKey
LZGSUHFZPNRCID-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-[2-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

417.09293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.10021 193.9
[M+Na]+ 440.08215 200.8
[M-H]- 416.08565 200.6
[M+NH4]+ 435.12675 202.6
[M+K]+ 456.05609 193.4
[M+H-H2O]+ 400.09019 185.1
[M+HCOO]- 462.09113 206.9
[M+CH3COO]- 476.10678 225.5
[M+Na-2H]- 438.06760 195.8
[M]+ 417.09238 195.7
[M]- 417.09348 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.